6-[tert-butyl(dimethyl)silyl]oxyhexanal

C12H26O2Si — CID 11128129

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhexanal
SMILESCC(C)(C)[Si](C)(C)OCCCCCC=O
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h10H,6-9,11H2,1-5H3
InChIKeyQRPJDVQNRZJLJE-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds7

About 6-[tert-butyl(dimethyl)silyl]oxyhexanal

6-[tert-butyl(dimethyl)silyl]oxyhexanal (PubChem CID 11128129) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhexanal.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhexanal
PubChem CID11128129
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhexanal
SMILESCC(C)(C)[Si](C)(C)OCCCCCC=O
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h10H,6-9,11H2,1-5H3
InChIKeyQRPJDVQNRZJLJE-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhexanal?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhexanal (CID 11128129) is 6-[tert-butyl(dimethyl)silyl]oxyhexanal.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhexanal?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhexanal is CC(C)(C)[Si](C)(C)OCCCCCC=O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhexanal?
The InChIKey is QRPJDVQNRZJLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h10H,6-9,11H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhexanal?
6-[tert-butyl(dimethyl)silyl]oxyhexanal has a molecular weight of 230.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxyhexanal is sourced from PubChem (CID 11128129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).